THE CRYSTAL STRUCTURE OF SULFUR DIOXIDE
THE CRYSTAL STRUCTURE OF SULFUR DIOXIDE
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DOI：
10.1107/s0365110x5200109x
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发表时间：
1952-01-01
期刊：
影响因子：
--
通讯作者：
FANKUCHEN, I
中科院分区：
文献类型：
--
作者：
POST, B;SCHWARTZ, RS;FANKUCHEN, I
在-130 ~5 ℃下，得到了二氧化硫单晶的振荡图.晶胞是正交晶系的，包含四个分子。电池尺寸为：a-6.07，B-5.94，c-6.14 A（均为-}-0.01/~）。最可能的空间群是阿坝。晶胞中的四个硫原子位于面心位置。氧原子的参数为：x-0.140，y-0.150，z-0.118。SO键长为1.430~ 0.015/k，分子内O-O键距为2.46~：0.01，OSO角为119± 2。引言Giauque和Jones（1948）报道了固体二氧化硫在熔点附近无序的量热证据。为了解释这种无序，他们假设了一种结构，在这种结构中，相邻的分子配对，它们的分子平面相距90度，三角形的0-0边在一起。人们认为，这种结构为定向障碍提供了许多可能性。二氧化硫是大量具有化学重要性的物质之一，其晶体结构尚未被研究，因为它们在室温下恰好是液体或气体。已经发展了一些技术和仪器，使这种化合物的单晶X射线研究在低至液态空气的温度下也是可行的（Kauf-man和Fankuchen，1949; Abrahams，柯林，IApscomb和Reed，1950; Post，Schwartz和Fankuchen，1951）。本文介绍了用这些技术测定二氧化硫晶体结构的方法。
Oscillation diagrams have been obtained of single crystals of sulfur dioxide at--130~ 5 C. The unit cell is orthorhombic and contains four molecules. Cell dimensions are: a----6.07, b----5.94, c----6.14 A (all-}-0.01/~). The most probable space group is Aba. The four sulfur atoms in the unit cell lie in face-centered positions. The parameters of the oxygen atom are: x-0.140, y----0.150, z-----0.118. The length of the SO bond is 1.430~ 0.015/k, the intramolecular 0-O distance is 2.46~: 0.01 A; the OSO angle is 119±2.Introduction Giauque & Jones (1948) have reported calorimetric evidence of disorder in solid sulfur dioxide close to the melting point. To account for the disorder they postulated a structure in which adjacent molecules are paired with their molecular planes 90 apart and with the 0-0 sides of the triangles together. A structure of this type, it was felt, offered a number of possibilities for orientational disorder. Sulfur dioxide is one of a large number of substances of chemical importance whose crystal structures have not been studied because they happen to be liquids or gases at room temperature. Techniques and ap-paratus have been developed which make single-crystal X-ray investigations of such compounds feasible down to the temperature of liquid air (Kauf-man & Fankuchen, 1949; Abrahams, Collin, IApscomb & Reed, 1950; Post, Schwartz & Fankuchen, 1951). In this paper the determination of the crystal structure of sulfur dioxide, using these techniques, is described.